3,8-bis(2,6-ditert-butylnaphthalen-1-yl)fluoranthene;9-[4-[6-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;9-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]carbazole

C195H149N7 — CID 167564129

IUPAC3,8-bis(2,6-ditert-butylnaphthalen-1-yl)fluoranthene;9-[4-[6-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;9-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(-c3ccc4c(c3)-c3cccc5c(-c6c(C(C)(C)C)ccc7cc(C(C)(C)C)ccc67)ccc-4c35)c(C(C)(C)C)ccc2c1.CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5cccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)c5)ccc4c3)cc21.c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cc2)cc1
InChIInChI=1S/C52H34N4.C52H54.C47H32.C44H29N3/c1-2-12-35(13-3-1)36-22-24-39(25-23-36)52-53-46(37-26-30-40(31-27-37)55-48-18-8-4-14-42(48)43-15-5-9-19-49(43)55)34-47(54-52)38-28-32-41(33-29-38)56-50-20-10-6-16-44(50)45-17-7-11-21-51(45)56;1-49(2,3)34-19-22-36-31(28-34)17-26-44(51(7,8)9)46(36)33-16-21-38-41-24-25-42(39-14-13-15-40(47(39)41)43(38)30-33)48-37-23-20-35(50(4,5)6)29-32(37)18-27-45(48)52(10,11)12;1-47(2)44-16-6-5-13-39(44)40-22-21-34(28-45(40)47)33-20-19-31-25-30(17-18-32(31)26-33)29-9-7-10-35(27-29)36-23-24-43-38-12-4-3-11-37(38)42-15-8-14-41(36)46(42)43;1-2-12-33(13-3-1)40-29-41(37-18-10-14-32-11-4-5-15-36(32)37)46-44(45-40)34-23-21-30(22-24-34)31-25-27-35(28-26-31)47-42-19-8-6-16-38(42)39-17-7-9-20-43(39)47/h1-34H;13-30H,1-12H3;3-28H,1-2H3;1-29H
InChIKeyFBAZJYOJCPRZMY-UHFFFAOYSA-N
MW2590.39 g/mol
LogP53.00
Rot. Bonds16

About 3,8-bis(2,6-ditert-butylnaphthalen-1-yl)fluoranthene;9-[4-[6-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;9-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]carbazole

3,8-bis(2,6-ditert-butylnaphthalen-1-yl)fluoranthene;9-[4-[6-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;9-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]carbazole (PubChem CID 167564129) has the molecular formula C195H149N7 and a molecular weight of 2590.39 g/mol. Its IUPAC name is 3,8-bis(2,6-ditert-butylnaphthalen-1-yl)fluoranthene;9-[4-[6-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;9-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3,8-bis(2,6-ditert-butylnaphthalen-1-yl)fluoranthene;9-[4-[6-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;9-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]carbazole
PubChem CID167564129
Molecular FormulaC195H149N7
Molecular Weight2590.39 g/mol
Exact Mass2588.19
IUPAC Name3,8-bis(2,6-ditert-butylnaphthalen-1-yl)fluoranthene;9-[4-[6-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;9-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(-c3ccc4c(c3)-c3cccc5c(-c6c(C(C)(C)C)ccc7cc(C(C)(C)C)ccc67)ccc-4c35)c(C(C)(C)C)ccc2c1.CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5cccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)c5)ccc4c3)cc21.c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cc2)cc1
InChIInChI=1S/C52H34N4.C52H54.C47H32.C44H29N3/c1-2-12-35(13-3-1)36-22-24-39(25-23-36)52-53-46(37-26-30-40(31-27-37)55-48-18-8-4-14-42(48)43-15-5-9-19-49(43)55)34-47(54-52)38-28-32-41(33-29-38)56-50-20-10-6-16-44(50)45-17-7-11-21-51(45)56;1-49(2,3)34-19-22-36-31(28-34)17-26-44(51(7,8)9)46(36)33-16-21-38-41-24-25-42(39-14-13-15-40(47(39)41)43(38)30-33)48-37-23-20-35(50(4,5)6)29-32(37)18-27-45(48)52(10,11)12;1-47(2)44-16-6-5-13-39(44)40-22-21-34(28-45(40)47)33-20-19-31-25-30(17-18-32(31)26-33)29-9-7-10-35(27-29)36-23-24-43-38-12-4-3-11-37(38)42-15-8-14-41(36)46(42)43;1-2-12-33(13-3-1)40-29-41(37-18-10-14-32-11-4-5-15-36(32)37)46-44(45-40)34-23-21-30(22-24-34)31-25-27-35(28-26-31)47-42-19-8-6-16-38(42)39-17-7-9-20-43(39)47/h1-34H;13-30H,1-12H3;3-28H,1-2H3;1-29H
InChIKeyFBAZJYOJCPRZMY-UHFFFAOYSA-N
XLogP53.00
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms202
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002590.39
LogP ≤ 553.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3,8-bis(2,6-ditert-butylnaphthalen-1-yl)fluoranthene;9-[4-[6-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;9-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3,8-bis(2,6-ditert-butylnaphthalen-1-yl)fluoranthene;9-[4-[6-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;9-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]carbazole?
The IUPAC name of 3,8-bis(2,6-ditert-butylnaphthalen-1-yl)fluoranthene;9-[4-[6-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;9-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]carbazole (CID 167564129) is 3,8-bis(2,6-ditert-butylnaphthalen-1-yl)fluoranthene;9-[4-[6-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;9-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 3,8-bis(2,6-ditert-butylnaphthalen-1-yl)fluoranthene;9-[4-[6-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;9-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 3,8-bis(2,6-ditert-butylnaphthalen-1-yl)fluoranthene;9-[4-[6-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;9-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]carbazole is CC(C)(C)c1ccc2c(-c3ccc4c(c3)-c3cccc5c(-c6c(C(C)(C)C)ccc7cc(C(C)(C)C)ccc67)ccc-4c35)c(C(C)(C)C)ccc2c1.CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5cccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)c5)ccc4c3)cc21.c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cc2)cc1.
What is the InChIKey of 3,8-bis(2,6-ditert-butylnaphthalen-1-yl)fluoranthene;9-[4-[6-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;9-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]carbazole?
The InChIKey is FBAZJYOJCPRZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4.C52H54.C47H32.C44H29N3/c1-2-12-35(13-3-1)36-22-24-39(25-23-36)52-53-46(37-26-30-40(31-27-37)55-48-18-8-4-14-42(48)43-15-5-9-19-49(43)55)34-47(54-52)38-28-32-41(33-29-38)56-50-20-10-6-16-44(50)45-17-7-11-21-51(45)56;1-49(2,3)34-19-22-36-31(28-34)17-26-44(51(7,8)9)46(36)33-16-21-38-41-24-25-42(39-14-13-15-40(47(39)41)43(38)30-33)48-37-23-20-35(50(4,5)6)29-32(37)18-27-45(48)52(10,11)12;1-47(2)44-16-6-5-13-39(44)40-22-21-34(28-45(40)47)33-20-19-31-25-30(17-18-32(31)26-33)29-9-7-10-35(27-29)36-23-24-43-38-12-4-3-11-37(38)42-15-8-14-41(36)46(42)43;1-2-12-33(13-3-1)40-29-41(37-18-10-14-32-11-4-5-15-36(32)37)46-44(45-40)34-23-21-30(22-24-34)31-25-27-35(28-26-31)47-42-19-8-6-16-38(42)39-17-7-9-20-43(39)47/h1-34H;13-30H,1-12H3;3-28H,1-2H3;1-29H.
What are the key properties of 3,8-bis(2,6-ditert-butylnaphthalen-1-yl)fluoranthene;9-[4-[6-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;9-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]carbazole?
3,8-bis(2,6-ditert-butylnaphthalen-1-yl)fluoranthene;9-[4-[6-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;9-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]carbazole has a molecular weight of 2590.39 g/mol, XLogP of 53.00, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-bis(2,6-ditert-butylnaphthalen-1-yl)fluoranthene;9-[4-[6-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]fluoranthene;9-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 167564129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).